Solving Molecular Distance Geometry Problems Using a Continuous Optimization Approach

DOI10.1007/978-1-4614-5128-0_12MaRDI QIDQ2841709zbMATH OpenOpenAlexFDO

Authors Rodrigo S. Lima, J. M. Martínez

Publication date 29 July 2013

Published in Distance Geometry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-1-4614-5128-0_12

zbMATH Keywords

molecular distancesnonlinear programmingnumerical experiments

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Nonlinear programming (90C30) Applications of mathematical programming (90C90) Computational methods for problems pertaining to biology (92-08) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cited in

(11)

• Double variable neighbourhood search with smoothing for the molecular distance geometry problem
• On a method of nonlinear optimization for the comparison of spatial structure of molecules
• Solving a generalized distance geometry problem for protein structure determination
• scientific article; zbMATH DE number 1101492 (Why is no real title available?)
• Large-Scale Molecular Optimization from Distance Matrices by a D.C. Optimization Approach
• scientific article; zbMATH DE number 1531958 (Why is no real title available?)
• scientific article; zbMATH DE number 841190 (Why is no real title available?)
• Computational Experience with the Molecular Distance Geometry Problem
• On generating instances for the modular distance geometry problem
• Positive semidefinite relaxations for distance geometry problems.
• The discretizable molecular distance geometry problem

Describes a project that uses

Uses Software

• MD-jeep

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